1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

C15H17Cl2N3O — CID 64671857

IUPAC1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CCCC1
InChIInChI=1S/C15H17Cl2N3O/c16-11-4-3-10(7-12(11)17)8-13-19-14(21-20-13)9-15(18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,18H2
InChIKeyJDCQPAFFLYDAFS-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.78
Rot. Bonds4

About 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine

1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (PubChem CID 64671857) has the molecular formula C15H17Cl2N3O and a molecular weight of 326.23 g/mol. Its IUPAC name is 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
PubChem CID64671857
Molecular FormulaC15H17Cl2N3O
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC Name1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
SMILESNC1(Cc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CCCC1
InChIInChI=1S/C15H17Cl2N3O/c16-11-4-3-10(7-12(11)17)8-13-19-14(21-20-13)9-15(18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,18H2
InChIKeyJDCQPAFFLYDAFS-UHFFFAOYSA-N
XLogP3.78
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine (CID 64671857) is 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is NC1(Cc2nc(Cc3ccc(Cl)c(Cl)c3)no2)CCCC1.
What is the InChIKey of 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
The InChIKey is JDCQPAFFLYDAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2N3O/c16-11-4-3-10(7-12(11)17)8-13-19-14(21-20-13)9-15(18)5-1-2-6-15/h3-4,7H,1-2,5-6,8-9,18H2.
What are the key properties of 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine?
1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine has a molecular weight of 326.23 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 64671857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).